Bruceine D

CAS Registry Number®

21499-66-1

CAS Name

Bruceine D

Molecular Formula

C20H26O9

Molecular Mass

410.42

Cite this Page

Bruceine D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21499-66-1 (retrieved 2024-10-05) (CAS RN: 21499-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285-290 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1

InChIKey

InChIKey=JBDMZGKDLMGOFR-KQSRGDCESA-N

SMILES

O[C@]12[C@@]34[C@@]([C@]5(C)[C@@](C[C@]3(OC(=O)[C@@H]1O)[H])(C(C)=CC(=O)[C@H]5O)[H])([C@@H](O)[C@H](O)[C@@]2(C)OC4)[H]

Canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(O)C(O)C5(OCC24C5(O)C1O)C)C

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12,14,15-pentahydroxy-, (1β,11β,12α,15β)-
  • 5H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(6aβH)-dione, 1,2,3,3a,4,7,7aα,11,11a,11bα-decahydro-1β,2α,3aβ,4β,11β-pentahydroxy-3α,8,11aβ-trimethyl-, (-)-
  • (1β,11β,12α,15β)-13,20-Epoxy-1,11,12,14,15-pentahydroxypicras-3-ene-2,16-dione
  • Bruceine D
  • NSC 318801

View All

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox